Crystallography Open Database

Information card for entry 8107239

Preview

Coordinates	8107239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H43 Co2 N11 O12
Calculated formula	C44 H43 Co2 N11 O12
Title of publication	Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
Authors of publication	Wang, Qin; Gao, Jia-Hao; Zhang, Sheng-Rui; Gao, Yan-Hong; Lu, Jiu-Fu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	869 - 872
a	10.7333 ± 0.0011 Å
b	13.6796 ± 0.0011 Å
c	16.751 ± 0.002 Å
α	113.982 ± 0.002°
β	90.578 ± 0.002°
γ	105.731 ± 0.001°
Cell volume	2142.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283932 (current)	2023-05-22	cif/ Adding structures of 8107239 via cif-deposit CGI script.	8107239.cif